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3TX

3TX
Name:	4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol
Formula:	C17 H12 N4 O
SMILES:	n2nn(c1ccc(O)cc1)cc2c3nc4c(cc3)cccc4
InChi:	InChI=1S/C17H12N4O/c22-14-8-6-13(7-9-14)21-11-17(19-20-21)16-10-5-12-3-1-2-4-15(12)18-16/h1-11,22H
Definition date:	2014-10-24
Last modified:	2015-03-06
Release date:	2015-03-11
Identifier:	4-[4-(quinolin-2-yl)-1H-1,2,3-triazol-1-yl]phenol

2AX

2AX
Name:	(3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid
Formula:	C15 H15 N O4 S
SMILES:	O=C(O)C1CC2C(=O)c3c(C(=O)C2SCC1C)cncc3
InChi:	InChI=1S/C15H15NO4S/c1-7-6-21-14-10(4-9(7)15(19)20)12(17)8-2-3-16-5-11(8)13(14)18/h2-3,5,7,9-10,14H,4,6H2,1H3,(H,19,20)/t7-,9+,10+,14+/m0/s1
Definition date:	2013-09-17
Last modified:	2015-03-06
Release date:	2015-03-11
Identifier:	(3R,4R,5aR,11aR)-3-methyl-6,11-dioxo-2,3,4,5,5a,6,11,11a-octahydrothiepino[3,2-g]isoquinoline-4-carboxylic acid

11V

11V
Name:	1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C25 H27 Cl N6 O S
SMILES:	ClC(c1ccccc1)Cn4ncc3c(nc(SCCN2CCOCC2)nc34)Nc5ccccc5
InChi:	InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)/t22-/m0/s1
Definition date:	2012-10-01
Last modified:	2015-02-27
Release date:	2015-03-04
Identifier:	1-[(2R)-2-chloro-2-phenylethyl]-6-{[2-(morpholin-4-yl)ethyl]sulfanyl}-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

WS1

WS1
Name:	6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide
Formula:	C22 H28 N4 O12
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO
InChi:	InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12+,14-,15-,16-,17-,18-,20-,21-/m1/s1
Definition date:	2013-04-29
Last modified:	2015-02-25
Release date:	2013-09-11
Identifier:	5'-deoxy-5'-[({6-[(alpha-L-talopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine

WS2

WS2
Name:	6-(1-beta-D-Galactopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide
Formula:	C22 H28 N4 O12
SMILES:	O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)CNC(=O)c3nc(ccc3)COC4OC(C(O)C(O)C4O)CO
InChi:	InChI=1S/C22H28N4O12/c27-7-12-15(30)16(31)18(33)21(38-12)36-8-9-2-1-3-10(24-9)19(34)23-6-11-14(29)17(32)20(37-11)26-5-4-13(28)25-22(26)35/h1-5,11-12,14-18,20-21,27,29-33H,6-8H2,(H,23,34)(H,25,28,35)/t11-,12-,14-,15+,16+,17-,18+,20-,21-/m1/s1
Definition date:	2013-08-16
Last modified:	2015-02-25
Release date:	2013-09-11
Identifier:	5'-deoxy-5'-[({6-[(beta-D-talopyranosyloxy)methyl]pyridin-2-yl}carbonyl)amino]uridine

YUK

YUK
Name:	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide
Formula:	C31 H29 N5 O2
SMILES:	O=C(N)c2ccc(cc2NC1CCC(O)CC1)c4nccc3c(cccc34)n5cc(nc5)c6ccccc6
InChi:	InChI=1S/C31H29N5O2/c32-31(38)26-14-9-21(17-27(26)35-22-10-12-23(37)13-11-22)30-25-7-4-8-29(24(25)15-16-33-30)36-18-28(34-19-36)20-5-2-1-3-6-20/h1-9,14-19,22-23,35,37H,10-13H2,(H2,32,38)/t22-,23-
Definition date:	2014-02-05
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide

BK9

BK9
Name:	4-ethoxyquinazoline
Formula:	C10 H10 N2 O
SMILES:	n2c1c(cccc1)c(OCC)nc2
InChi:	InChI=1S/C10H10N2O/c1-2-13-10-8-5-3-4-6-9(8)11-7-12-10/h3-7H,2H2,1H3
Definition date:	2014-06-27
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	4-ethoxyquinazoline

3ZG

3ZG
Name:	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea
Formula:	C16 H18 N4 O2
SMILES:	O=C(N1CCCC1)CNC(=O)Nc3cc2ccncc2cc3
InChi:	InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)
Definition date:	2014-12-17
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	1-isoquinolin-6-yl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]urea

AWR

AWR
Name:	4-(7-METHOXY-1-(TRIFLUOROMETHYL)-9H-PYRIDO[3,4-B]INDOL-9-yl)butan-1-amine
Formula:	C17 H18 F3 N3 O
SMILES:	FC(F)(F)c3nccc2c1c(cc(OC)cc1)n(c23)CCCCN
InChi:	InChI=1S/C17H18F3N3O/c1-24-11-4-5-12-13-6-8-22-16(17(18,19)20)15(13)23(14(12)10-11)9-3-2-7-21/h4-6,8,10H,2-3,7,9,21H2,1H3
Definition date:	2015-02-15
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	4-[7-methoxy-1-(trifluoromethyl)-9H-beta-carbolin-9-yl]butan-1-amine

DOV

DOV
Name:	1-amino-5-fluoro-3-(6-(4-methylpiperazin-1-yl)-1h-benzo[D]imidazol-2-yl)quinolin-2(1H)-one
Formula:	C21 H37 F N6 O
SMILES:	FC1CCCC2NC(=O)C(C(N)C12)C3NC5C(N3)CC(N4CCN(CC4)C)CC5
InChi:	InChI=1S/C21H37FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h12-20,24-25H,2-11,23H2,1H3,(H,26,29)/t12-,13+,14-,15-,16-,17-,18+,19+,20-/m1/s1
Definition date:	2014-08-15
Last modified:	2015-02-20
Release date:	2015-02-25
Identifier:	(3S,4R,4aS,5S,8aR)-4-amino-5-fluoro-3-[(2R,3aR,5R,7aR)-5-(4-methylpiperazin-1-yl)octahydro-1H-benzimidazol-2-yl]octahydroquinolin-2(1H)-one

3X5

3X5
Name:	(2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
Formula:	C29 H34 N4 O2
SMILES:	O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5
InChi:	InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27-,28+/m0/s1
Definition date:	2014-12-03
Last modified:	2015-02-13
Release date:	2015-02-18
Identifier:	(2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal

KB8

KB8
Name:	6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline
Formula:	C15 H16 F3 N3
SMILES:	FC(F)(F)c1nc3c(c(c1)N2CCNCC2)cc(cc3)C
InChi:	InChI=1S/C15H16F3N3/c1-10-2-3-12-11(8-10)13(21-6-4-19-5-7-21)9-14(20-12)15(16,17)18/h2-3,8-9,19H,4-7H2,1H3
Definition date:	2014-10-31
Last modified:	2015-02-13
Release date:	2015-02-18
Identifier:	6-methyl-4-(piperazin-1-yl)-2-(trifluoromethyl)quinoline

3A7

3A7
Name:	(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
Formula:	C23 H29 Br N4 O2
SMILES:	Brc1ccc(cc1)C(=O)N3C(CC2C(CCCC2)C3)CNC(C=O)Cc4cncn4
InChi:	InChI=1S/C23H29BrN4O2/c24-19-7-5-16(6-8-19)23(30)28-13-18-4-2-1-3-17(18)9-22(28)12-26-21(14-29)10-20-11-25-15-27-20/h5-8,11,14-15,17-18,21-22,26H,1-4,9-10,12-13H2,(H,25,27)/t17-,18-,21+,22+/m1/s1
Definition date:	2014-07-15
Last modified:	2015-02-13
Release date:	2015-02-18
Identifier:	(2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal

3BL

3BL
Name:	(2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
Formula:	C29 H34 N4 O2
SMILES:	O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5
InChi:	InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27+,28+/m1/s1
Definition date:	2014-07-18
Last modified:	2015-02-13
Release date:	2015-02-18
Identifier:	(2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal

XJ8

XJ8
Name:	N-[(1S)-2-[(2-amino-5-quinolyl)methylamino]-1-benzyl-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Formula:	C29 H25 N5 O4
SMILES:	O=C(NCc2c1ccc(nc1ccc2)N)C(NC(=O)c4ccc3c(C(O)=CC(=O)N3)c4)Cc5ccccc5
InChi:	InChI=1S/C29H25N5O4/c30-26-12-10-20-19(7-4-8-22(20)32-26)16-31-29(38)24(13-17-5-2-1-3-6-17)34-28(37)18-9-11-23-21(14-18)25(35)15-27(36)33-23/h1-12,14-15,24H,13,16H2,(H2,30,32)(H,31,38)(H,34,37)(H2,33,35,36)/t24-/m0/s1
Definition date:	2014-02-26
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	N-[(2S)-1-{[(2-aminoquinolin-5-yl)methyl]amino}-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide

0TU

0TU
Name:	6-chloroquinolin-2(1H)-one
Formula:	C9 H6 Cl N O
SMILES:	Clc2ccc1c(C=CC(=O)N1)c2
InChi:	InChI=1S/C9H6ClNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
Definition date:	2014-02-25
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	6-chloroquinolin-2(1H)-one

E30

E30
Name:	4-(1H-tetrazol-5-yl)aniline
Formula:	C7 H7 N5
SMILES:	n1nnnc1c2ccc(N)cc2
InChi:	InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
Definition date:	2014-02-26
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	4-(1H-tetrazol-5-yl)aniline

3U5

3U5
Name:	5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine
Formula:	C19 H13 N5 S
SMILES:	n1cc(sc1N)c5cc4c(c2cc3ccccc3nc2)nnc4cc5
InChi:	InChI=1S/C19H13N5S/c20-19-22-10-17(25-19)12-5-6-16-14(8-12)18(24-23-16)13-7-11-3-1-2-4-15(11)21-9-13/h1-10H,(H2,20,22)(H,23,24)
Definition date:	2014-10-30
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine

3A4

3A4
Name:	(2S)-2-({[(3S,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal
Formula:	C29 H34 N4 O2
SMILES:	O=CC(NCC3N(C(=O)c2ccc(c1ccccc1)cc2)CC4CCCCC4C3)Cc5cncn5
InChi:	InChI=1S/C29H34N4O2/c34-19-27(15-26-16-30-20-32-26)31-17-28-14-24-8-4-5-9-25(24)18-33(28)29(35)23-12-10-22(11-13-23)21-6-2-1-3-7-21/h1-3,6-7,10-13,16,19-20,24-25,27-28,31H,4-5,8-9,14-15,17-18H2,(H,30,32)/t24-,25-,27-,28-/m0/s1
Definition date:	2014-07-15
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	(2S)-2-({[(3S,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal

MVN

MVN
Name:	6-chloro-4-methyl-1H-quinolin-2-one
Formula:	C10 H8 Cl N O
SMILES:	Clc2ccc1c(C(=CC(=O)N1)C)c2
InChi:	InChI=1S/C10H8ClNO/c1-6-4-10(13)12-9-3-2-7(11)5-8(6)9/h2-5H,1H3,(H,12,13)
Definition date:	2014-02-26
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	6-chloro-4-methylquinolin-2(1H)-one

OTW

OTW
Name:	4-methylquinoline-2,6-diamine
Formula:	C10 H11 N3
SMILES:	n1c(cc(c2cc(ccc12)N)C)N
InChi:	InChI=1S/C10H11N3/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,11H2,1H3,(H2,12,13)
Definition date:	2014-02-26
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	4-methylquinoline-2,6-diamine

7DM

7DM
Name:	4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid
Formula:	C10 H7 N O4
SMILES:	O=C(O)c2ccc1c(C(O)=CC(=O)N1)c2
InChi:	InChI=1S/C10H7NO4/c12-8-4-9(13)11-7-2-1-5(10(14)15)3-6(7)8/h1-4H,(H,14,15)(H2,11,12,13)
Definition date:	2014-02-26
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxylic acid

7P0

7P0
Name:	N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Formula:	C28 H24 Cl N7 O4
SMILES:	O=C2Nc1ccc(cc1C(O)=C2)C(=O)NC(C(=O)NCCc3cc(Cl)ccc3n4nnnc4)Cc5ccccc5
InChi:	InChI=1S/C28H24ClN7O4/c29-20-7-9-24(36-16-31-34-35-36)18(13-20)10-11-30-28(40)23(12-17-4-2-1-3-5-17)33-27(39)19-6-8-22-21(14-19)25(37)15-26(38)32-22/h1-9,13-16,23H,10-12H2,(H,30,40)(H,33,39)(H2,32,37,38)/t23-/m0/s1
Definition date:	2014-02-26
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide

QNZ

QNZ
Name:	(E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid
Formula:	C24 H15 N3 O3
SMILES:	O=C(O)c1cc(ccc1)N3C(=Nc2c(cccc2)C3=O)C=Cc4ccc(C#N)cc4
InChi:	InChI=1S/C24H15N3O3/c25-15-17-10-8-16(9-11-17)12-13-22-26-21-7-2-1-6-20(21)23(28)27(22)19-5-3-4-18(14-19)24(29)30/h1-14H,(H,29,30)/b13-12+
Definition date:	2013-12-21
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	3-{2-[(E)-2-(4-cyanophenyl)ethenyl]-4-oxoquinazolin-3(4H)-yl}benzoic acid

R9B

R9B
Name:	N-[(1S)-1-benzyl-2-[(6-chloro-2-oxo-1H-quinolin-4-yl)methylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carbo
Formula:	C29 H23 Cl N4 O5
SMILES:	Clc1ccc2c(c1)C(=CC(=O)N2)CNC(=O)C(NC(=O)c4ccc3c(C(O)=CC(=O)N3)c4)Cc5ccccc5
InChi:	InChI=1S/C29H23ClN4O5/c30-19-7-9-22-20(13-19)18(12-26(36)32-22)15-31-29(39)24(10-16-4-2-1-3-5-16)34-28(38)17-6-8-23-21(11-17)25(35)14-27(37)33-23/h1-9,11-14,24H,10,15H2,(H,31,39)(H,32,36)(H,34,38)(H2,33,35,37)/t24-/m0/s1
Definition date:	2014-02-26
Last modified:	2015-02-06
Release date:	2015-02-11
Identifier:	N-[(2S)-1-{[(6-chloro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]amino}-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-2-oxo-1,2-dihydroquinoline-6-carboxamide

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